| CAS Number | 658700-15-3 |
| Catalog Number | AG00IBJ9(AGN-PC-0CJZFH) |
| Chemical Name | (3-Fluoro-4-nitrophenyl)carbamic acid tert-butyl ester |
| IUPAC Name | tert-butyl N-(3-fluoro-4-nitrophenyl)carbamate |
| InChI | InChI=1S/C11H13FN2O4/c1-11(2,3)18-10(15)13-7-4-5-9(14(16)17)8(12)6-7/h4-6H,1-3H3,(H,13,15) |
| InChI Key | WGKWEHCWQLJIDT-UHFFFAOYSA-N |
| MDL Number | MFCD09953070 |
| Molecular Formula | C11H13FN2O4 |
| Molecular Weight | 256.2303 |
| SMILES | CC(OC(NC1=CC(F)=C([N+]([O-])=O)C=C1)=O)(C)C |
| Synonyms | 658700-15-3,
(3-fluoro-4-nitrophenyl)carbamic acid tert-butyl ester,
tert-Butyl (3-fluoro-4-nitrophenyl)carbamate,
SCHEMBL7070721,
WGKWEHCWQLJIDT-UHFFFAOYSA-N,
AKOS017556056,
ZINC116940094,
(tert-butoxy)-n-(3-fluoro-4-nitrophenyl)carboxamide,
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| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.233g/mol |
| Monoisotopic Mass | 256.086g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number